Difference between revisions of "CPD-14746"

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(Created page with "Category:metabolite == Metabolite BENZOYLSUCCINYL-COA == * common-name: ** benzoylsuccinyl-coa * smiles: ** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)c(c(=o)c1(=cc=cc=c1))cc(=o)[o-]...")
(Created page with "Category:metabolite == Metabolite CPD-14746 == * common-name: ** thiobenzoate * smiles: ** c(c1(c=cc=cc=1))(s)=o * inchi-key: ** uijgntrupzpvng-uhfffaoysa-n * molecular-we...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite BENZOYLSUCCINYL-COA ==
+
== Metabolite CPD-14746 ==
 
* common-name:
 
* common-name:
** benzoylsuccinyl-coa
+
** thiobenzoate
 
* smiles:
 
* smiles:
** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)c(c(=o)c1(=cc=cc=c1))cc(=o)[o-])cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-]
+
** c(c1(c=cc=cc=1))(s)=o
 
* inchi-key:
 
* inchi-key:
** sgnpjinsckfitg-ihebcorqsa-i
+
** uijgntrupzpvng-uhfffaoysa-n
 
* molecular-weight:
 
* molecular-weight:
** 966.676
+
** 138.184
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-13725]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-905]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=benzoylsuccinyl-coa}}
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{{#set: common-name=thiobenzoate}}
{{#set: inchi-key=inchikey=sgnpjinsckfitg-ihebcorqsa-i}}
+
{{#set: inchi-key=inchikey=uijgntrupzpvng-uhfffaoysa-n}}
{{#set: molecular-weight=966.676}}
+
{{#set: molecular-weight=138.184}}

Revision as of 14:54, 5 January 2021

Metabolite CPD-14746

  • common-name:
    • thiobenzoate
  • smiles:
    • c(c1(c=cc=cc=1))(s)=o
  • inchi-key:
    • uijgntrupzpvng-uhfffaoysa-n
  • molecular-weight:
    • 138.184

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality